input word = C00049514

Metabolite InformationStructural formula
Name Pseudohexafuhalol B hexadecaacetate
Formula C68H58O37
Mw 1466.26569288
CAS RN 202137-75-5
C_ID C00049514 ,
InChIKey XYURASUGIIAUTE-UHFFFAOYSA-N
InChICode InChI=1S/C68H58O37/c1-27(69)85-43-17-50(89-31(5)73)61(51(18-43)90-32(6)74)103-46-23-49(88-30(4)72)60(96-38(12)80)54(24-46)104-65-57(25-55(93-35(9)77)63(97-39(13)81)67(65)99-41(15)83)101-45-21-52(91-33(7)75)62(53(22-45)92-34(8)76)105-66-58(26-56(94-36(10)78)64(98-40(14)82)68(66)100-42(16)84)102-44-19-47(86-28(2)70)59(95-37(11)79)48(20-44)87-29(3)71/h17-26H,1-16H3
SMILES c1(cc(c(c(c1)Oc1c(c(c(cc1Oc1cc(c(c(c1)OC(=O)C)Oc1c(cc(c(c1OC(=O)C)OC(=O)C)OC(=O)C)Oc1cc(c(OC(=O)C)c(c1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCarpophyllum angustifolium Ref.
ChromalveolataSargassaceaeSargassum spinuligerum Ref.
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OrganismCarpophyllum angustifolium
ReferenceGlombitza,J.Nat.Prod.,62,(1999),1238